CID 6435987

114496-30-9

Structural Information

Molecular Formula
C22H19IN4O3
SMILES
CCC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC=C(C=C4)OC)/C3=O)C
InChI
InChI=1S/C22H19IN4O3/c1-4-20-25-18-10-7-15(23)12-17(18)21(28)27(20)26-13(2)24-19(22(26)29)11-14-5-8-16(30-3)9-6-14/h5-12H,4H2,1-3H3/b19-11-
InChIKey
UCDOMZOOJXIKBW-ODLFYWEKSA-N
Compound name
2-ethyl-6-iodo-3-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.05748 197.6
[M+Na]+ 537.03942 202.1
[M-H]- 513.04292 196.8
[M+NH4]+ 532.08402 201.7
[M+K]+ 553.01336 200.5
[M+H-H2O]+ 497.04746 182.8
[M+HCOO]- 559.04840 209.9
[M+CH3COO]- 573.06405 203.2
[M+Na-2H]- 535.02487 186.2
[M]+ 514.04965 198.9
[M]- 514.05075 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.